N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C20H20N6O3S3 — CID 24522158

IUPACN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CNc2nnc(SCC(=O)Nn3cnc4sc(C)c(C)c4c3=O)s2)cc1
InChIInChI=1S/C20H20N6O3S3/c1-11-12(2)31-17-16(11)18(28)26(10-22-17)25-15(27)9-30-20-24-23-19(32-20)21-8-13-4-6-14(29-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,21,23)(H,25,27)
InChIKeyWIXPGFOFEIVYMQ-UHFFFAOYSA-N
MW488.62 g/mol
LogP3.41
Rot. Bonds8

About N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 24522158) has the molecular formula C20H20N6O3S3 and a molecular weight of 488.62 g/mol. Its IUPAC name is N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID24522158
Molecular FormulaC20H20N6O3S3
Molecular Weight488.62 g/mol
Exact Mass488.08
IUPAC NameN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CNc2nnc(SCC(=O)Nn3cnc4sc(C)c(C)c4c3=O)s2)cc1
InChIInChI=1S/C20H20N6O3S3/c1-11-12(2)31-17-16(11)18(28)26(10-22-17)25-15(27)9-30-20-24-23-19(32-20)21-8-13-4-6-14(29-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,21,23)(H,25,27)
InChIKeyWIXPGFOFEIVYMQ-UHFFFAOYSA-N
XLogP3.41
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.62
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2608166
1-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 17455891
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24512946
2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 17423577
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24521210
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide
CID 17418394
2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 24519371
N-[2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide
CID 9476143
N-[(4-ethylphenyl)methyl]-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 24522134
N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 763193
ethyl 6-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate
CID 31536903
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 24601343

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 24522158) is N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is COc1ccc(CNc2nnc(SCC(=O)Nn3cnc4sc(C)c(C)c4c3=O)s2)cc1.
What is the InChIKey of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is WIXPGFOFEIVYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S3/c1-11-12(2)31-17-16(11)18(28)26(10-22-17)25-15(27)9-30-20-24-23-19(32-20)21-8-13-4-6-14(29-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,21,23)(H,25,27).
What are the key properties of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 488.62 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 24522158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).